Introduction：Basic information about CAS 34859-74-0|3-chloroadamantanecarboxylic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-chloroadamantanecarboxylic acid |
|---|
| CAS Number | 34859-74-0 | Molecular Weight | 214.689 |
|---|
| Density | 1.3±0.1 g/cm3 | Boiling Point | 343.2±15.0 °C at 760 mmHg |
|---|
| Molecular Formula | C11H15ClO2 | Melting Point | 136 °C |
|---|
| MSDS | / | Flash Point | 161.4±20.4 °C |
|---|
Names
| Name | 3-chloroadamantane-1-carboxylic acid |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
|---|
| Boiling Point | 343.2±15.0 °C at 760 mmHg |
|---|
| Melting Point | 136 °C |
|---|
| Molecular Formula | C11H15ClO2 |
|---|
| Molecular Weight | 214.689 |
|---|
| Flash Point | 161.4±20.4 °C |
|---|
| Exact Mass | 214.076050 |
|---|
| PSA | 37.30000 |
|---|
| LogP | 2.36 |
|---|
| Vapour Pressure | 0.0±1.6 mmHg at 25°C |
|---|
| Index of Refraction | 1.571 |
|---|
| InChIKey | GMOBHRQSNDDZAD-UHFFFAOYSA-N |
|---|
| SMILES | O=C(O)C12CC3CC(CC(Cl)(C3)C1)C2 |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- AU4452700
- CHEMICAL NAME :
- 3-Adamantanecarboxylic acid, 1-chloro-
- CAS REGISTRY NUMBER :
- 34859-74-0
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C11-H15-Cl-O2
- MOLECULAR WEIGHT :
- 214.71
- WISWESSER LINE NOTATION :
- L 66 B6/B-H/DI A B- C 1B ITJ AVQ CG
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1500 mg/kg
- TOXIC EFFECTS :
- Behavioral - anticonvulsant
- REFERENCE :
- RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 43,73,1980
|
Safety Information
| Hazard Codes | Xi |
|---|
| Risk Phrases | R36/37/38 |
|---|
| Safety Phrases | S26-S36/37/39 |
|---|
| HS Code | 2916209090 |
|---|
Customs
| HS Code | 2916209090 |
|---|
| Summary | 2916209090 other cyclanic, cyclenic or cyclotherpenic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0% |
|---|
Synonyms
| 3-chloroadamantyl-1-carboxylic acid |
| Tricyclo[3.3.1.1]decane-1-carboxylic acid, 3-chloro-, (5R,7S)- |
| 3-chloroadamantanecarboxylic acid |
| 3-chloro-1-adamantanecarboxylic acid |
| 3-Chlor-adamantan-carbonsaeure-(1) |
| 1-Chloro-3-adamantanecarboxylic acid |
| 3-ADAMANTANECARBOXYLIC ACID,1-CHLORO |
| (1r,3s,5R,7S)-3-Chloro-1-adamantanecarboxylic acid |
| MFCD00167831 |
